2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

C34H34F8O — CID 139853514

About 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853514) has the molecular formula C34H34F8O and a molecular weight of 610.63 g/mol. Its IUPAC name is 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139853514
• Molecular Formula: C34H34F8O
• Molecular Weight: 610.63 g/mol
• Exact Mass: 610.25
• IUPAC Name: 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCc1ccc(CCC2CCc3c(cc(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5)CC4)c3F)C2)c(F)c1F
• InChI: InChI=1S/C34H34F8O/c1-2-3-22-11-12-23(32(38)31(22)37)6-4-19-5-14-26-25(16-19)18-28(36)30(33(26)39)21-9-7-20(8-10-21)24-13-15-29(27(35)17-24)43-34(40,41)42/h11-13,15,17-21H,2-10,14,16H2,1H3
• InChIKey: UDOMGEUVSOKPNO-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.63
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 139853514) is 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(CCC2CCc3c(cc(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5)CC4)c3F)C2)c(F)c1F.

What is the InChIKey of 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?

The InChIKey is UDOMGEUVSOKPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F8O/c1-2-3-22-11-12-23(32(38)31(22)37)6-4-19-5-14-26-25(16-19)18-28(36)30(33(26)39)21-9-7-20(8-10-21)24-13-15-29(27(35)17-24)43-34(40,41)42/h11-13,15,17-21H,2-10,14,16H2,1H3.

What are the key properties of 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?

2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 610.63 g/mol, XLogP of 10.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).